2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride

C18H34ClN — CID 173089642

IUPAC2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride
SMILESC=C(C)C(CC)N(C(CC)C(=C)C)C(CC)C(=C)C.Cl
InChIInChI=1S/C18H33N.ClH/c1-10-16(13(4)5)19(17(11-2)14(6)7)18(12-3)15(8)9;/h16-18H,4,6,8,10-12H2,1-3,5,7,9H3;1H
InChIKeyRHAJQBRELIUKTF-UHFFFAOYSA-N
MW299.93 g/mol
LogP5.77
Rot. Bonds9

About 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride

2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride (PubChem CID 173089642) has the molecular formula C18H34ClN and a molecular weight of 299.93 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride
PubChem CID173089642
Molecular FormulaC18H34ClN
Molecular Weight299.93 g/mol
Exact Mass299.24
IUPAC Name2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride
SMILESC=C(C)C(CC)N(C(CC)C(=C)C)C(CC)C(=C)C.Cl
InChIInChI=1S/C18H33N.ClH/c1-10-16(13(4)5)19(17(11-2)14(6)7)18(12-3)15(8)9;/h16-18H,4,6,8,10-12H2,1-3,5,7,9H3;1H
InChIKeyRHAJQBRELIUKTF-UHFFFAOYSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.93
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azane;3-ethyl-2-methylpent-1-ene;hydrochloride
CID 175344836
N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride
CID 173089896
(E)-1-N,3-N,2-trimethyl-1-N-[(3R)-2-methylpent-1-en-3-yl]pent-2-ene-1,3-diamine
CID 155733417
1-[2-(dimethylamino)-3-methylbut-3-enoxy]-N,N,3-trimethylbut-3-en-2-amine
CID 139697210
2,3-dimethylpent-1-ene;ethane
CID 143286891
N,N,2,5-tetramethylhex-1-en-3-amine
CID 135213995
2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine
CID 146660642
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
butan-2-ol;2-prop-1-en-2-yloxybutane
CID 159582124
6-ethyl-7-methylocta-1,2,7-triene
CID 91218176
3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide
CID 175472051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride?
The IUPAC name of 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride (CID 173089642) is 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride?
The canonical SMILES for 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride is C=C(C)C(CC)N(C(CC)C(=C)C)C(CC)C(=C)C.Cl.
What is the InChIKey of 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride?
The InChIKey is RHAJQBRELIUKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N.ClH/c1-10-16(13(4)5)19(17(11-2)14(6)7)18(12-3)15(8)9;/h16-18H,4,6,8,10-12H2,1-3,5,7,9H3;1H.
What are the key properties of 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride?
2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride has a molecular weight of 299.93 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2-methylpent-1-en-3-yl)pent-1-en-3-amine;hydrochloride is sourced from PubChem (CID 173089642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).